methyl 2-[(5-methyl-1,3-thiazol-2-yl)amino]acetate

C7H10N2O2S — CID 86087502

IUPACmethyl 2-[(5-methyl-1,3-thiazol-2-yl)amino]acetate
SMILESCOC(=O)CNc1ncc(C)s1
InChIInChI=1S/C7H10N2O2S/c1-5-3-8-7(12-5)9-4-6(10)11-2/h3H,4H2,1-2H3,(H,8,9)
InChIKeyJFLGJELJMRPJAK-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.04
Rot. Bonds3

About methyl 2-[(5-methyl-1,3-thiazol-2-yl)amino]acetate

methyl 2-[(5-methyl-1,3-thiazol-2-yl)amino]acetate (PubChem CID 86087502) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is methyl 2-[(5-methyl-1,3-thiazol-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-methyl-1,3-thiazol-2-yl)amino]acetate
PubChem CID86087502
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Namemethyl 2-[(5-methyl-1,3-thiazol-2-yl)amino]acetate
SMILESCOC(=O)CNc1ncc(C)s1
InChIInChI=1S/C7H10N2O2S/c1-5-3-8-7(12-5)9-4-6(10)11-2/h3H,4H2,1-2H3,(H,8,9)
InChIKeyJFLGJELJMRPJAK-UHFFFAOYSA-N
XLogP1.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-methyl-1,3-thiazol-2-yl)amino]acetate?
The IUPAC name of methyl 2-[(5-methyl-1,3-thiazol-2-yl)amino]acetate (CID 86087502) is methyl 2-[(5-methyl-1,3-thiazol-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(5-methyl-1,3-thiazol-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[(5-methyl-1,3-thiazol-2-yl)amino]acetate is COC(=O)CNc1ncc(C)s1.
What is the InChIKey of methyl 2-[(5-methyl-1,3-thiazol-2-yl)amino]acetate?
The InChIKey is JFLGJELJMRPJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-5-3-8-7(12-5)9-4-6(10)11-2/h3H,4H2,1-2H3,(H,8,9).
What are the key properties of methyl 2-[(5-methyl-1,3-thiazol-2-yl)amino]acetate?
methyl 2-[(5-methyl-1,3-thiazol-2-yl)amino]acetate has a molecular weight of 186.24 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-methyl-1,3-thiazol-2-yl)amino]acetate is sourced from PubChem (CID 86087502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).